1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

C20H23FN2O2S — CID 47064402

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCN1CCOC(c2ccc(F)cc2)C1)N1CCc2sccc2C1
InChIInChI=1S/C20H23FN2O2S/c21-17-3-1-15(2-4-17)18-14-22(10-11-25-18)8-6-20(24)23-9-5-19-16(13-23)7-12-26-19/h1-4,7,12,18H,5-6,8-11,13-14H2
InChIKeyYCBVAUCOYNZHHQ-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.24
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 47064402) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
PubChem CID47064402
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCN1CCOC(c2ccc(F)cc2)C1)N1CCc2sccc2C1
InChIInChI=1S/C20H23FN2O2S/c21-17-3-1-15(2-4-17)18-14-22(10-11-25-18)8-6-20(24)23-9-5-19-16(13-23)7-12-26-19/h1-4,7,12,18H,5-6,8-11,13-14H2
InChIKeyYCBVAUCOYNZHHQ-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (CID 47064402) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is O=C(CCN1CCOC(c2ccc(F)cc2)C1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is YCBVAUCOYNZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c21-17-3-1-15(2-4-17)18-14-22(10-11-25-18)8-6-20(24)23-9-5-19-16(13-23)7-12-26-19/h1-4,7,12,18H,5-6,8-11,13-14H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 374.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 47064402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).